ChemSpider 2D Image | Scabrolide D | C19H24O6

Scabrolide D

  • Molecular FormulaC19H24O6
  • Average mass348.390 Da
  • Monoisotopic mass348.157288 Da
  • ChemSpider ID23340043

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(1S,4S,8S,11S,13R,14S)-4-Isopropenyl-11-methyl-15,17,18-trioxatetracyclo[11.2.2.18,11.01,14]octadecan-6,9,16-trion [German] [ACD/IUPAC Name]
(1S,4S,8S,11S,13R,14S)-4-Isopropenyl-11-methyl-15,17,18-trioxatetracyclo[11.2.2.18,11.01,14]octadecane-6,9,16-trione [ACD/IUPAC Name]
(1S,4S,8S,11S,13R,14S)-4-Isopropényl-11-méthyl-15,17,18-trioxatétracyclo[11.2.2.18,11.01,14]octadécane-6,9,16-trione [French] [ACD/IUPAC Name]
15,17,18-Trioxatetracyclo[11.2.2.18,11.01,14]octadecane-6,9,16-trione, 11-methyl-4-(1-methylethenyl)-, (1S,4S,8S,11S,13R,14S)- [ACD/Index Name]
Norcembrenolide C
Scabrolide D
(1S,4S,8S,11S,13R,14S)-11-methyl-4-(prop-1-en-2-yl)-15,17,18-trioxatetracyclo[11.2.2.18,11.01,14]octadecane-6,9,16-trione
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL506620/

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 549.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.9±3.0 kJ/mol
Flash Point: 242.3±30.2 °C
Index of Refraction: 1.548
Molar Refractivity: 86.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.26
ACD/LogD (pH 5.5): 0.44
ACD/BCF (pH 5.5): 1.28
ACD/KOC (pH 5.5): 41.52
ACD/LogD (pH 7.4): 0.44
ACD/BCF (pH 7.4): 1.28
ACD/KOC (pH 7.4): 41.52
Polar Surface Area: 82 Å2
Polarizability: 34.4±0.5 10-24cm3
Surface Tension: 47.8±5.0 dyne/cm
Molar Volume: 273.6±5.0 cm3

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